Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50009860
Substrate
n/a
Meas. Tech.
ChEMBL_1542270 (CHEMBL3745492)
IC50
180±n/a nM
Citation
 Zhang, Y; Tortorella, MD; Liao, J; Qin, X; Chen, T; Luo, J; Guan, J; Talley, JJ; Tu, Z Synthesis and Evaluation of Novel Erlotinib-NSAID Conjugates as More Comprehensive Anticancer Agents. ACS Med Chem Lett 6:1086-90 (2015) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50009860
Synonyms:
2-(6-Methoxy-naphthalen-2-yl)-propionic acid | 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(naproxen) | 2-(6-methoxy-2-naphthyl)propanoic acid | 2-(6-methoxynaphthalen-2-yl)propanoic acid | CHEMBL154 | Naproxen | Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid
Type:
Small organic molecule
Emp. Form.:
C14H14O3
Mol. Mass.:
230.2592
SMILES:
COc1ccc2cc(ccc2c1)C(C)C(O)=O
Structure:
Search PDB for entries with ligand similarity: